Synthesis and Biological Activities of Some Mannich Bases of 5-(4-Hydroxyphenyl)-1,3,4-Oxadiazole-2-Thione

以对羟基苯甲酸乙酯为原料，经肼解、环化合成５（４羟基苯基）１，３，４二唑２硫酮，继而经Ｍａｎｎｉｃｈ反应合成了四种新曼尼希碱，其结构经红外光谱、核磁共振和元素分析证实。初步抑菌活性试验表明，显示弱的抑菌活性。

Synthesis and NO production inhibition of novel Mannich base derivatives of irisolidone

Five new C-8 Mannich base derivatives of irisolidone 2a-2e were synthesized and their nitric oxide（NO）production inhibitory activity was evaluated.Compounds 2a,2b,2c and 2e displayed stronger activities in vitro than the parent compound irisolidone.

COMBINATORIAL SYNTHESIS OF MANNICH BASES IN SOLUTION/POLYMER REAGENT WORKUP

This paper describes a combinatorial Synthesis of the Mannich Bases in Solution through the Mannich reaction using 3 ketones, 5 amines and formaldehyde in solution and hydrochloride as a catalyst and then using a macroporous quarterized ammonium resin (CO32- form) as a scavenge agent to remove the acid catalyst when the Mannich reaction is completed. It was found by GC/MS analysis that the symmetrical ketone, such as acetone, in the Mannich reaction mainly produces one Mannich base; while the asymmetrical ketone, such as 2-pentanone, gives two Mannich bases. The reactivity depends on the tereo-hinder of both ketones and amines.

Synthesis and Biological Activity Study of New Schiff and Mannich Base Ligands Derived from Isatin and 3-Amino-1,2,4-triazole and Their Metal Complexes

Two new Mannich and Schiff base ligands namely： （1-（3＇-amino-methyl-1＇（H）-1＇,2＇,4＇-triazole）-3-（1＇（H）-l＇,2＇,4＇- triazole-3＇-yl） iminoisatin （Lt） and l-morpholinomethyl-3-（1＇（H）-1＇,2＇,4＇-triazolyl）iminoisatin （LII） were prepared from condensation reaction of the new Schiff base 3-（l＇（H）-l＇,2＇,4＇-triazole-3＇-yl）iminoisatin （SBH） （0.01 mol） with formaldehyde and 3-amino-l,2,4-triazole （3-At） or with formaldehyde and morpholine （0.01 mole each） respectively. Structures were characterized by tH NMR, CHN analyses, mass spectra and IR spectra. Metal complexes were synthesized by heating each ligand （0.02 mo with metal salts （0.01 moo in ethanol or ethanol： acetone mixture respectively. The formula of metal complexes were suggested depending on CHN and thermal analyses, metal and chloride contents, IR and UV-visible spectra, magnetic moments （laefr） and conductivity measurements. All complexes were of octahedral geometry except palladium （II） complexes which were square planar. The two ligands and some selected metal complexes showed various antibacterial and cytotoxic effects.

Novel Mannich Bases of Benzimidazole Derivatives: An Antibacterial Study of Environmental Bacterial Strains

A previous study was conducted on the synthesis and antibacterial evaluation of Mannich bases of 2-(thioalkyl)-1H-methylbenzimidazole derivatives. The results of this study showed that certain 2-(thioalkyl)-1H-methylbenzimidazole and 2-(thioalkyl)-methyl-1-(piperidin-1-ylmethyl)benzimidazole derivatives possess antibacterial activities against clinical strains, such as Escherichia coli, Klebsiella pneumonia (Gram-negative bacteria), Staphylococcus aureus and Pseudomonas aeruginosa (Gram-positive bacteria). Following these favorable results, we extended the antibacterial evaluation of this series of molecules to environmental strains. The aim of this study was to assess the impact of the methyl-piperidine group fixed at position-1 of this new series of benzimidazoles on the antibacterial activity of environmental strains. In addition, we first evaluated the antibacterial activity of four 2-(thioalkyl)methylbenzimidazole derivatives and then that of five 2-(thioalkyl)-methyl-1-(piperidin-1-ylmethyl) benzimidazole derivatives. This study allowed us to show that compounds 1d and 1e could inhibit bacterial growth in vitro of the Enterobacteria P1 strain with inhibition diameters of 17.3 ± 0.6 mm and 10 ± 0.0 mm, respectively. However, addition of methyl-piperidinyl in this series showed that five (5) of 2-(thioalkyl)-methyl-1-(piperidin-1-ylmethyl) benzimidazole derivatives had an inhibitory effect on the in vitro growth of bacterial strains used except on Enterobacteria P2 with inhibition diameters between 10.0 ± 0.8 mm and 27.9 ± 1.4 mm. The introduction of the methyl-piperidinyl group at the 1-position of 2-(thioalkyl)-1H-methylbenzimidazole derivatives greatly improved the antibacterial activity against environmental bacteria such as Escherichia coli A1, A2, A3, and A4 and two Enterobacteria P1.

Mannich-Type Reactions of Aldimines and Hetero Diels-Alder Reactions of Aldehydes Catalyzed by Anion-Type Lewis Bases Derived from a Single Molecule

Mannich-type reactions of aldimines with silyl enolates and hetero Diels-Alder reactions of aldehydes with Danishef-sky’s diene in the presence of anion catalysts derived from proline were performed to afford the corresponding products in high yields.

新型多取代Trger’s base衍生物的合成及其晶体结构

以邻氨基二苯甲酮为原料,经两分子环化缩合反应制得6,12-二芳基二苯并[b,f][1,5]二氮杂环辛四烯(2a^2d);2a^2d经Li Al H4还原制得6,12-二芳基-5,6,11,12-四氢二苯并[b,f][1,5]二氮杂环辛(3a^3d);3a^3d与醛(或酮)反应,合成了一系列新型的多取代Trger’s base衍生物(4a^4d和5a^7a),其结构经1H NMR,13C NMR,HR-MS(ESI)和X-射线单晶衍射表征。通过分析架桥前后3a(CCDC:1498564)和6a(CCDC:1498555)的晶体结构,解释了该类化合物1H NMR中NCH质子及桥上取代基质子裂分的原因,并进一步证实了4~7为非C2轴对称结构。

新型含均三氮唑Schiff碱吡唑基Mannich碱的合成

以N-(1-苯基-3-甲基-5-氯)吡唑甲酰肼基二硫代甲酸钾和水合肼为起始原料,经闭环反应制得4-氨基-5-(1-苯基-3-甲基-5-氯吡唑)-1,2,4-三唑-3-硫酮(2);2与对溴苯甲醛经缩合反应得4-(4-溴苯次甲亚胺)-5-(1-苯基-3-甲基-5-氯吡唑)-1,2,4-三唑-3-硫酮(3);以乙醇为溶剂,3在甲醛溶液中与吗啉于75℃反应4 h合成了新化合物——2-(吗啉亚甲基)-4-(4-溴苯次甲亚胺)-5-(1-苯基-3-甲基-5-氯吡唑)-1,2,4-三唑-3-硫酮,总收率37%,其结构经1H NMR,IR和元素分析表征。

新型含2,4-二氯苯基-1,2,4-三唑Schiff碱Mannich碱衍生物的合成及生物活性

3-巯基-4-氨基-5-(2,4-二氯)苯基-1,2,4-三唑与取代苯甲醛经缩合反应制得中间体4-(取代苯次甲亚胺基)-5-(2,4-二氯苯基)-4H-1,2,4-三唑-3-硫酮(3a^3d);3a^3d在甲醛溶液中分别与吗啉于75℃反应4 h合成了4个新型的含2,4-二氯苯基均三氮唑Schiff碱Mannich碱衍生物——4-(取代苯甲亚胺基)-5-(2,4-二氯苯基)-2-(吗啉亚甲基)-2H-1,2,4-三唑-3-硫酮,收率69%~81%,其结构经1H NMR,13C NMR,IR及元素分析表征。初步生物活性测试结果表明:部分目标化合物在用药量为100 mg·L-1时对黄瓜霜霉病的抑制率达100%。

A New Investigation of Mannich Reaction

During the synthesis of the derivatives of styryl ketonic Mannich bases, a side -product IM,other than the normal Mannich base MA, is obtained. Mannich reaction is further studied and the formation mechanism of product IM is postulated and discussed on the basis of deuterium labelling.

Urban Construction Land Suitability Evaluation Based on Improved Multi-criteria Evaluation Based on GIS(MCE-GIS): Case of New Hefei City,China

Urban construction land suitability evaluation （UCLSE） is a complex system engineering and the basis for rational use of the limited urban land resources in China. It has an important practical value on urban construction land use planning and management from the angle of methodology. As a widely used technique, traditional multi-criteria evaluation based on GIS （MCE-GIS）, is not suitable for UCLSE. This study develops an improved MCE-GIS method which could be more suitable for UCLSE based on urban complex ecological system theory and the summary of the shortcomings of traditional MCE-GIS. The improvements include three aspects： a composite evaluation index system rather than natural indexes alone, an index weight calculated by using fuzzy Analytic Hierarchy Process （AHP） method rather than the common AHP method, and the integrated overlay rule, which includes selecting the minimum value, weighted linear combination （WLC） and simple summation. The main advantage of this improved technique is that it can make UCLSE more comprehensive, more operational and more reasonable. It can provide a scientific basis for decision making in the planning and management of urban construction land use. The improved MCE-GIS system has been adopted in the New Hefei City, Anhui Province, China. Based on the results of UCLSE in New Hefei, three functional areas including construction-appropriate areas, construction-restricted areas and construction-forbidden areas could be worked out, in which 36.90% of the total study area could be developed as urban construction land and the remaining 63.10% should be protected as reserves land or as ecological land. Furthermore, the results can orovide scientific decision suooort for spatial planning and eco-environment nrotection in New Hefei.

Electronic Structures and Spectra of the Bases and Base Pairs of Nucleic Acids

The present paper covers electronic structures and spectra of the bases and the base pairs of nucleic acids calculated by using the INDO/S method. For free bases we give the energy levels of ground states and transition energies of low-lying excited states and discuss the band characters. The results indicate that the calculated spectra are in good agreement with experimental values. On the other hand, our calculations for A-T and G-C pairs are very beneficial to understanding hydrogen bond properties of these pairs.

Some Novel Schiff Bases from Pyruvic Acid with Amines Containing N &S Donor Atoms: Synthesis, Spectral Studies and X-Ray Crystal Structures

Four Schiff bases, from pyruvic acid (1) with amines containing N and S donor atoms, thiocarbohydrazide (2, 61%), 2-methyl-3-thiosemicarbazide (3, 26%), S-benzyldithiocarbazate (4, 51%) and S-n-octyldithiocarbazate (5, 63%) have been successfully synthesized. The conventional method was used and a series of novel linear and cyclic Schiff bases were obtained with or without catalyst. All the Schiff bases were fully characterized by CHN elemental analysis, FT-IR, 1H & 13C NMR, EI-MS and two of the Schiff bases were further characterized by X-ray crystallographic structure analysis. Compound 2 crystallizes in the triclinic space group P-1 and unit cell dimensions are: a = 4.1777(8), b = 5.9538(11), c = 13.458(3) Å, α = 92.759(6), β = 90.813(6), γ = 100.040(6)°, R1 = 0.0439. Compound 3 crystallizes in the orthorhombic space group P n a 2(1) and unit cell dimensions are: a = 5.5992(2), b = 11.3962(5), c = 10.6473(5), α = 92.759(6), β = 90.813(6), γ = 100.040(6)°, R1 = 0.0285. Compounds 2 and 3 were obtained as cyclic Schiff bases which are triazine derivatives.

Mathematical Model of Natural Gas Desulfurization Based on Membrane Absorption

Models of mass transfer kinetics combined with mass transfer differential equation and mass transfer resistance equation were established on the basis of double-film theory. Mass transfer process of H2 S absorption by means of polypropylene hydrophobic microporous hollow fiber membrane contactor was simulated using MDEA(N-methyldiethanolamine) as the absorption liquid and corresponding experiments of natural gas desulfurization were performed. The simulation results indicated that the removal rate of hydrogen sulfide showed positive dependence on the absorption liquid concentration and gas pressure. However, the desulfurization rate showed negative dependence on gas flow. The simulated values were in good agreement with the experimental results. The in-tube concentration of hydrogen sulfide at the same point increased with increase in the gas velocity. Axial concentration of hydrogen sulfide decreased rapidly at the beginning, and the decrease saw a slowdown during the latter half period. Hydrogen sulfide concentration dropped quickly in the radial direction, and the reduction in the radial direction was weakened with the increase of axial length due to the gradual reduction of hydrogen sulfide concentration along the tube. The desulfurization rate under given operating conditions can be predicted by this model, and the theoretical basis for membrane module design can also be provided.

Synthesis and mesomorphic properties of fluorinated Schiff's base liquid crystals containing vinyl end groups

Three kinds of fluorinated Schiff＇s base esters, 4-allyloxy-2-X-6-X-benzoic acid 4-[（2, 3, 4-trifluorophenylimino）methyl]phenyl ester, where X=H or F, were synthesized and characterized. Their chemical structures were identified by Fourier transform infrared spectroscopy （FTIR） and ^1H nuclear magnetic resonance （^1H NMR）. Their mesomorphic properties were studied by polarized optical microscopy （POM） and differential scanning calorimetry （DSC）. It was found that all the three compounds exhibited enantiotropic nematic phases only. And their cleating point temperature and thermal range of mesophase decreased with the number of fluorine atoms on the rigid core of the compounds; while their melting point temperature showed no distinct regularity.

Alzheimer’s Disease Diagnosis Based on a Semantic Rule-Based Modeling and Reasoning Approach

Alzheimer’s disease(AD)is a very complex disease that causes brain failure,then eventually,dementia ensues.It is a global health problem.99%of clinical trials have failed to limit the progression of this disease.The risks and barriers to detecting AD are huge as pathological events begin decades before appearing clinical symptoms.Therapies for AD are likely to be more helpful if the diagnosis is determined early before the final stage of neurological dysfunction.In this regard,the need becomes more urgent for biomarker-based detection.A key issue in understanding AD is the need to solve complex and high-dimensional datasets and heterogeneous biomarkers,such as genetics,magnetic resonance imaging(MRI),cerebrospinal fluid(CSF),and cognitive scores.Establishing an interpretable reasoning system and performing interoperability that achieves in terms of a semantic model is potentially very useful.Thus,our aim in this work is to propose an interpretable approach to detect AD based on Alzheimer’s disease diagnosis ontology(ADDO)and the expression of semantic web rule language(SWRL).This work implements an ontology-based application that exploits three different machine learning models.These models are random forest(RF),JRip,and J48,which have been used along with the voting ensemble.ADNI dataset was used for this study.The proposed classifier’s result with the voting ensemble achieves a higher accuracy of 94.1%and precision of 94.3%.Our approach provides effective inference rules.Besides,it contributes to a real,accurate,and interpretable classifier model based on various AD biomarkers for inferring whether the subject is a normal cognitive(NC),significant memory concern(SMC),early mild cognitive impairment(EMCI),late mild cognitive impairment(LMCI),or AD.

Individualized music for dementia:Evolution and application of evidence-based protocol

The theory-based intervention of individualized music has been evaluated clinically and empirically leading to advancement and refinement of an evidence-based protocol, currently in its 5th edition. An expanded version of the protocol was written for professional health care providers with a consumer version tailored for family caregivers. The underlying mid-range theory is presented along with a seminal study that was followed by further research in the United States, Canada, Great Britain, France, Sweden, Norway, Japan and Taiwan. Key studies are summarized. Given its efficacy when implemented by research staff, studies have advanced to testing the intervention under real-life conditions when implemented and evaluated by trained nursing assistants in long-term care facilities and visiting family members. In addition, one study evaluated the implementation of music by family members in the home setting. Initial research focused on agitation as the dependent variable with subsequent research indicating a more holistic response such as positive affect, expressed satisfaction, and meaningful interaction with others. The article advances by describing on-line programs designed to train health care professionals in the assessment, implementation and evaluation of individualized music. In addition, Gerdner has written a story for apicture book intended for children and their families(in press). The story models principles of individualized music to elicit positive memories, reduce anxiety and agitation, and promote communication. The article concludes with implications for future research.

Characterizing some gossypol and gossypolone Schiff's bases by studying their fragmentation patterns with electrospray ionization tandem mass spectra

To investigate the structural form of gossypol and gossypolone Schiff＇s bases, seven relevant Schiff＇s bases were synthesized and the electrospray ionization-tandem mass spectrometry （ESI-MS/MS） with low-energy collision-induced dissociation was used to analyze their fragmentations. A common fragmentation pathway with the loss of RNH2 from those schiff＇s bases quasi-molecular ions was observed and proposed on the basis of their MS/MS spectra data. This common pathway indicated that those Schiff＇s bases existed mainly as the enamine form not the imine form previously showed in most reports.

Biased Random Number Generator Based on Bell's Theorem

We propose a biased random number generation protocol whose randomness is based on the violation of the Clauser Home inequality. Non-maximally entangled state is used to maximize the Bell violation. Due to the rotational asymmetry of the quantum state, the ratio of Os to ls varies with the measurement bases. The experimental partners can then use their measurement outcomes to generate the biased random bit string. The bias of their bit string can be adjusted by altering their choices of measurement bases. When this protocol is implemented in a device-independent way, we show that the bias of the bit string can still be ensured under the collective attack.

Antifungal Evaluation of Copper(Ⅱ) Complex from a Schiff Base Derivative of Pyrazine on Schizosaccharomyces pombe

A new copper(Ⅱ) complex of CuLCl_2, where L = N^1-(1-pyrazin-2-yl-ethylidene)-ethane-1,2-diamine, a tridentate Schiff base derived from 2-acetylpyrazine has been prepared. The complex has been characterized by FT-IR, elemental analysis and single-crystal X-ray diffraction studies. Structural studies reveal that CuLCl_2 is a mononuclear copper(Ⅱ) complex with distorted square pyramidal geometry. Antifungal activity of CuLCl_2 was investigated by use of microcalorimetric measurement system and evaluated against S. pombe. It has high antifungal activity with IC_(50) = 213 μg/mL.